2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide

C21H20N2O2 — CID 118911737

IUPAC2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(C)c1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H20N2O2/c1-15-7-5-8-16(2)19(15)14-25-20-11-4-3-10-18(20)21(24)23-17-9-6-12-22-13-17/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyCDUPEWCOBGZTCX-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.53
Rot. Bonds5

About 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide

2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 118911737) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID118911737
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(C)c1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H20N2O2/c1-15-7-5-8-16(2)19(15)14-25-20-11-4-3-10-18(20)21(24)23-17-9-6-12-22-13-17/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyCDUPEWCOBGZTCX-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 118911737) is 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide is Cc1cccc(C)c1COc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is CDUPEWCOBGZTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-7-5-8-16(2)19(15)14-25-20-11-4-3-10-18(20)21(24)23-17-9-6-12-22-13-17/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 118911737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).